CID 165664879

Methyl 6,6-dioxo-6lambda6-thia-3-azabicyclo[3.2.0]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO4S
SMILES
COC(=O)C12CNCC1S(=O)(=O)C2
InChI
InChI=1S/C7H11NO4S/c1-12-6(9)7-3-8-2-5(7)13(10,11)4-7/h5,8H,2-4H2,1H3
InChIKey
MSTNRYVEHULOCB-UHFFFAOYSA-N
Compound name
methyl 6,6-dioxo-6lambda6-thia-3-azabicyclo[3.2.0]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.048156 138.1
[M+Na]+ 228.030098 144.7
[M-H]- 204.033604 139.8
[M+NH4]+ 223.074703 155.2
[M+K]+ 244.004038 146.0
[M+H-H2O]+ 188.038140 130.1
[M+HCOO]- 250.039081 151.1
[M+CH3COO]- 264.054731 179.6
[M+Na-2H]- 226.015546 141.8
[M]+ 205.04033142 148.6
[M]- 205.04142858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.